Cas no 915289-19-9 (1,3,5-Benzenetricarboxylic acid, 1,3,5-tris(4-butoxyphenyl) ester)
915289-19-9 structure
Product Name:1,3,5-Benzenetricarboxylic acid, 1,3,5-tris(4-butoxyphenyl) ester
CAS No:915289-19-9
MF:C39H42O9
MW:654.74539232254
CID:787321
PubChem ID:71428837
Update Time:2025-04-19
1,3,5-Benzenetricarboxylic acid, 1,3,5-tris(4-butoxyphenyl) ester Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Benzenetricarboxylic acid, 1,3,5-tris(4-butoxyphenyl) ester
- tris(4-butoxyphenyl) benzene-1,3,5-tricarboxylate
- 915289-19-9
- DTXSID80847551
-
- Inchi： 1S/C39H42O9/c1-4-7-22-43-31-10-16-34(17-11-31)46-37(40)28-25-29(38(41)47-35-18-12-32(13-19-35)44-23-8-5-2)27-30(26-28)39(42)48-36-20-14-33(15-21-36)45-24-9-6-3/h10-21,25-27H,4-9,22-24H2,1-3H3
- InChI Key： PMFCVKXWGCJIOI-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=CC=1)OC(C1C=C(C(=O)OC2C=CC(=CC=2)OCCCC)C=C(C(=O)OC2C=CC(=CC=2)OCCCC)C=1)=O)CCCC
Computed Properties
- Exact Mass: 654.28288291g/mol
- Monoisotopic Mass: 654.28288291g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 48
- Rotatable Bond Count: 21
- Complexity: 801
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 9.8
- Topological Polar Surface Area: 107?2
1,3,5-Benzenetricarboxylic acid, 1,3,5-tris(4-butoxyphenyl) ester Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
915289-19-9 (1,3,5-Benzenetricarboxylic acid, 1,3,5-tris(4-butoxyphenyl) ester) Related Products
- 744-45-6(Diphenyl isophthalate)
- 2444-19-1(4-Hydroxyphenyl benzoate)
- 4906-25-6(Methyl 4-n-butoxybenzoate)
- 93-99-2(Phenyl benzoate)
- 62435-37-4(Methyl 4-n-octyloxybenzoate)
- 1498-96-0(4-Butoxybenzoic acid)
- 28084-48-2(Benzoic acid,4-hydroxy-, 4-hydroxyphenyl ester)
- 28099-28-7(Benzoic acid,4-methoxy-, 4-hydroxyphenyl ester)
- 17696-62-7(Phenyl 4-hydroxybenzoate)
- 1539-04-4(1,4-diphenyl benzene-1,4-dicarboxylate)
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